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MC-1

CAT: 0931-TN11087-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-TN11087-02Size:50 mg
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CAS Number
39051-96-2
Target
Others, Endogenous Metabolite
Related Pathways
Others, Metabolism
Bioactivity
MC-1 is an isocoumarin compound identified in A. ochraceus, exhibiting anti-angiogenic properties. It effectively suppresses angiogenesis induced by Sarcoma 180 cells in the dorsal air sac of mice when administered at a daily dose of 100 mg/kg.
Smiles
O=C(O)C=1OC(=O)C=2C(O)=CC(OC)=CC2C1
Molecular Formula
C11H8O6
Molecular Weight
236.18
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

6-Methoxy-8-hydroxyisocoumarin-3-carboxylic acid

6-Methoxy-8-hydroxyisocoumarin-3-carboxylic acid is a member of isocoumarins.

CAS Number39051-96-2
PubChem CID15434373
IUPAC Name8-hydroxy-6-methoxy-1-oxoisochromene-3-carboxylic acid
Molecular FormulaC11H8O6
Molecular Weight236.18
XLogP1.8
Topological Polar Surface Area93.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count2
Heavy Atom Count17
Formal Charge0
Complexity374
SMILES
COC1=CC(=C2C(=C1)C=C(OC2=O)C(=O)O)O
InChI
InChI=1S/C11H8O6/c1-16-6-2-5-3-8(10(13)14)17-11(15)9(5)7(12)4-6/h2-4,12H,1H3,(H,13,14)
InChIKey
LMYWVTVHSMUDIN-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 6-Methoxy-8-hydroxyisocoumarin-3-carboxylic acid
CAS: 39051-96-2
CID: 15434373
Formula: C11H8O6
MW: 236.18
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight236.18
XLogP31.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count2
Exact Mass236.03208797
Monoisotopic Mass236.03208797
Topological Polar Surface Area93.1 Ų
Heavy Atom Count17
Formal Charge0
Complexity374
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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